5-Chloro-7-nitrobenzoxazole-2(3H)-thione - CAS 850258-89-8
Catalog: |
BB037413 |
Product Name: |
5-Chloro-7-nitrobenzoxazole-2(3H)-thione |
CAS: |
850258-89-8 |
Synonyms: |
5-chloro-7-nitro-3H-1,3-benzoxazole-2-thione; 5-chloro-7-nitro-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 5-chloro-7-nitro-3H-1,3-benzoxazole-2-thione |
Description: | 5-Chloro-7-nitrobenzoxazole-2(3H)-thione (CAS# 850258-89-8 ) is a useful research chemical. |
Molecular Weight: | 230.63 |
Molecular Formula: | C7H3ClN2O3S |
Canonical SMILES: | C1=C(C=C2C(=C1[N+](=O)[O-])OC(=S)N2)Cl |
InChI: | InChI=1S/C7H3ClN2O3S/c8-3-1-4-6(13-7(14)9-4)5(2-3)10(11)12/h1-2H,(H,9,14) |
InChI Key: | MNXNEWOKLZIMFI-UHFFFAOYSA-N |
LogP: | 3.57520 |
Publication Number | Title | Priority Date |
AU-2004281879-A1 | 1,3-benzoxazolyl derivatives as kinase-inhibitors | 20030924 |
AU-2004281879-B2 | 1,3-benzoxazolyl derivatives as kinase-inhibitors | 20030924 |
CA-2539767-C | 1,3-benzoxazolyl derivatives as kinase inhibitors | 20030924 |
EP-1664039-A1 | 1,3-benzoxazolyl derivatives as kinase-inhibitors | 20030924 |
EP-1664039-B1 | 1,3-benzoxazolyl derivatives as kinase-inhibitors | 20030924 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.9552908 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.9552908 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 99.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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